Found 1 result

Search term: LXRTYSPGPRSKRZ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 4-(3,4-difluorophenyl)-6-methyl-2-oxo-3-{[3-(4-phenyl-1-piperazinyl)propyl]carbamoyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C27H31F2N5O4

Methyl 4-(3,4-difluorophenyl)-6-methyl-2-oxo-3-{[3-(4-phenyl-1-piperazinyl)propyl]carbamoyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC27H31F2N5O4
  • Average mass527.563 Da
  • Monoisotopic mass527.234436 Da
  • ChemSpider ID8729531

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-(3,4-Difluorophényl)-6-méthyl-2-oxo-3-{[3-(4-phényl-1-pipérazinyl)propyl]carbamoyl}-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 6-(3,4-difluorophenyl)-1,2,3,6-tetrahydro-4-methyl-2-oxo-1-[[[3-(4-phenyl-1-piperazinyl)propyl]amino]carbonyl]-, methyl ester [ACD/Index Name]
Methyl 4-(3,4-difluorophenyl)-6-methyl-2-oxo-3-{[3-(4-phenyl-1-piperazinyl)propyl]carbamoyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
methyl 4-(3,4-difluorophenyl)-6-methyl-2-oxo-3-{[3-(4-phenylpiperazin-1-yl)propyl]carbamoyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Methyl-4-(3,4-difluorphenyl)-6-methyl-2-oxo-3-{[3-(4-phenyl-1-piperazinyl)propyl]carbamoyl}-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
4-(3,4-Difluoro-phenyl)-6-methyl-2-oxo-3-[3-(4-phenyl-piperazin-1-yl)-propylcarbamoyl]-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
CHEMBL342731
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL342731/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.572
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 5.10
ACD/KOC (pH 5.5): 38.71
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 138.75
ACD/KOC (pH 7.4): 1052.14
Polar Surface Area: 94 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 411.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement